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2-(3-(2-Chlorobenzyl)-1-methylureido)ethyl naphthalen-2-ylcarbamate

HCID 23729133
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CN(CCOC(=O)Nc1ccc2ccccc2c1)C(=O)NCc1ccccc1Cl
InChIKey
WOMKEQOTPUWNBD-UHFFFAOYSA-N
Molecular formula
C22H22ClN3O3
Average molar mass
411.9 g/mol

Names & identifiers

Preferred name
2-(3-(2-Chlorobenzyl)-1-methylureido)ethyl naphthalen-2-ylcarbamate
IUPAC
2-[(2-chlorophenyl)methylcarbamoyl-methylamino]ethyl N-naphthalen-2-ylcarbamate

Names & synonyms

SCHEMBL4780378WOMKEQOTPUWNBD-UHFFFAOYSA-N2-(3-(2-chlorobenzyl)-1-methylureido)ethyl naphthalen-2-ylcarbamate

Database identifiers

PubChem CID
23729133

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
70.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
29
Formal charge
0
Complexity
547

Related reactions

2 records
New reaction record
HRID 119484 reaction equation
HRID 119484As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 655974 reaction equation
HRID 655974As productuspto-grants-2011_12

Compound notes

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